Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type/Kappa-type/Mu-type opioid receptor' and Ligand = 'BDBM50228330'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type/Kappa-type/Mu-type opioid receptor (Homo sapiens (Human))	BDBM50228330 (CHEMBL2112087) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)C(N)CC(O)=O)ccc3O |THB:10:9:14:4.5.6| Show InChI InChI=1S/C21H27N3O6/c1-24-7-6-20-16-10-2-3-13(25)17(16)30-18(20)12(4-5-21(20,29)14(24)8-10)23-19(28)11(22)9-15(26)27/h2-3,11-12,14,18,25,29H,4-9,22H2,1H3,(H,23,28)(H,26,27)/t11?,12?,14-,18+,20+,21-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description In vitro inhibition of Escherichia coli dihydrofolate reductase.				J Med Chem 32: 2068-71 (1989) BindingDB Entry DOI: 10.7270/Q2N30067
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